Geometry & MOs

Info

ID:	242277
PubChem CID:	96099809
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	298.140531
ΔH_f, kcal/mol:	-71.69
Dipole, Da:	2.51
IP(EA), eV:	-9.39(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-[1-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzimidazol-2-yl]methanamine

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC[C@@H]1C2=NOC(=N2)C(C)C)OCC3CC3

DOS

IR

Vibrations